SCHEMBL6956307

SCHEMBL6956307

CN(C)S(=O)(=O)n1cncc1CCCCN

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
NOS1 P29475 3/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.32
HRH3 Q9Y5N1 3/20 0.32
HRH4 Q9H3N8 2/20 0.32
HRH1 P35367 7/20 0.31
HRH2 P25021 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6958742 0.99 TBXAS1 (0.36) TBXAS1KDM4EGAANOS1HRH3
SCHEMBL6956227 0.99 TBXAS1 (0.36) TBXAS1KDM4EGAANOS1HRH3
SCHEMBL6964096 0.99 TBXAS1 (0.36) TBXAS1KDM4EGAANOS1HRH3
SCHEMBL8176755 0.99 TBXAS1 (0.36) TBXAS1KDM4EGAANOS1HRH3
SCHEMBL6960237 0.99 TBXAS1 (0.36) TBXAS1KDM4EGAANOS1HRH3
SCHEMBL7274394 0.81 KDM4E (0.36) KDM4EGAAHTTTSHR
Hydrochloric Acid SCHEMBL7277644 0.80 KDM4E (0.36) TBXAS1KDM4EGAAHTTTSHR
SCHEMBL632166 0.72 KDM4E (0.34) KDM4EGAAHTTTSHR
SCHEMBL14901212 0.71 KDM4E (0.33) KDM4EGAAHTTTSHR
SCHEMBL8172829 0.70

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882023-B1 HISTAMINE H 3 RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2003-06-04 EP disclosed
US-6080871-A ANTIHISTAMINES JAMES BLACK FOUNDATION LIMITED (GB) 2000-06-27 US disclosed
EP-0882023-A1 HISTAMINE H 3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1998-12-09 EP disclosed
WO-1997029092-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1997-08-14 WO disclosed